AG00C06E

3274-28-0 | 2-Propylhexanoic acid

AG00C06E

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CAS Number	3274-28-0
Catalog Number	AG00C06E(AGN-PC-0CVUK2)
Chemical Name	2-Propylhexanoic acid
IUPAC Name	2-propylhexanoic acid
InChI	InChI=1S/C9H18O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key	HWXRWNDOEKHFTL-UHFFFAOYSA-N
MDL Number	MFCD01723297
Molecular Formula	C9H18O2
Molecular Weight	158.2380
SMILES	CCCCC(CCC)C(O)=O
Synonyms	2-Propylhexanoic acid, 3274-28-0, 4-Octanecarboxylic acid, Propylbutylacetic acid, HEXANOIC ACID, 2-PROPYL-, 2-Propyl-2-butylacetic acid, Hexanoic acid,2-propyl-, BRN 1754202, UNII-L5671E148V, 2-propylcaproic acid, L5671E148V, AC1L2CI3, 4-02-00-01030 (Beilstein Handbook Reference), SCHEMBL542449, CTK4G9213, AKOS010362972, ACM3274280, LS-75368, FT-0674105, Hexanoicacid,2-propyl-, CID18647, C9-H18-O2,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.241g/mol
Monoisotopic Mass	158.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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